3-吡咯烷-1,2-丙二醇 | 85391-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 3-吡咯烷-1,2-丙二醇
• 中文别名: 3-吡咯烷基-1,2-丙二醇
• 英文名称: 3-azacyclopentyl-1,2-propanediol
• 英文别名: 3-pyrrolidino-propane-1,2-diol；3-Pyrrolidino-propan-1,2-diol；3-(1-pyrrolidinyl)propane-1,2-diol；3-pyrrolidino-1,2-propanediol；3-(pyrrolidin-1-yl)propane-1,2-diol；3-pyrrolidin-1-ylpropane-1,2-diol
• CAS: 85391-19-1
• 化学式: C₇H₁₅NO₂
• mdl: MFCD00003177
• 分子量: 145.202
• InChiKey: MFPZRSWYUKWRIQ-UHFFFAOYSA-N

物化性质

• 熔点：
  43-48 °C
• 沸点：
  158 °C (30 mmHg)
• 密度：
  1.0708 (rough estimate)
• 溶解度：
  21.4 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  43.7
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933990090

SDS

Name:	3-Pyrrolidino-1 2-Propanediol 96% Material Safety Data Sheet
Synonym:	None Known
CAS:	85391-19-1

Section 1 - Chemical Product MSDS Name:3-Pyrrolidino-1 2-Propanediol 96% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
85391-19-1	3-Pyrrolidino-1,2-Propanediol	96%	286-772-1

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 85391-19-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: faint yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 158 deg C @ 30.00mm Hg
Freezing/Melting Point: 46.00 - 48.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H15NO2
Molecular Weight: 145.20

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 85391-19-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Pyrrolidino-1,2-Propanediol - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 85391-19-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 85391-19-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 85391-19-1 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-吡咯烷-1,2-丙二醇 生成 4-(Pyrrolidin-1-ylmethyl)-1,3,2-dioxathiolane 2-oxide
  参考文献：
  名称：

  KAVABATA, OSAMU;TANIMOTO, FUMIO;INOUEH, IOSIXARU

  摘要：

  DOI：
• 作为产物：
  描述：

  在 盐酸 、 水 、 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 3-吡咯烷-1,2-丙二醇
  参考文献：
  名称：

  Water-soluble meroterpenes containing an aminoglyceride fragment with geraniol residues: synthesis and membranotropic properties

  摘要：

  A number of new membrane anchors based on water-soluble aminoglycerides with geraniol fragments have been synthesized. A biomimetic approach was used based on the design of meroterpenes structurally similar to archaeal lipids. Turbidimetry and laser Doppler microelectrophoresis showed that the synthesized compounds were incorporated into unilamellar dipalmitoylphosphatidylcholine (DPPC) vesicles.

  DOI：

  10.1016/j.mencom.2019.01.008

文献信息

• [EN] N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE UTILES EN TANT QU'INHIBITEURS DE LA GLUCOSYLCÉRAMIDE SYNTHASE
  申请人：BIOMARIN PHARM INC

  公开号：WO2015065937A1

  公开（公告）日：2015-05-07

  Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and compounds I for use to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

  本处描述的是公式I的化合物，制造此类化合物的方法，包含此类化合物的药物组合物和药品，以及用于治疗或预防与葡萄糖苷鞘氨醇合酶（GCS）相关疾病的I化合物。
• Novel Thiophene Derivatives as Spingosine-1-Phosphate-1 Receptor Agonists
  申请人：Bolli Martin

  公开号：US20080194670A1

  公开（公告）日：2008-08-14

  The invention relates to novel thiophene derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunosuppressive agents.

  这项发明涉及新型噻吩衍生物，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫抑制剂。
• Novel Thiophene Derivatives as Sphingosine-1-Phosphate-1 Receptor Agonists
  申请人：Bolli Martin

  公开号：US20080318955A1

  公开（公告）日：2008-12-25

  The invention relates to novel thiophene derivatives, their preparation and their use as pharmaceutically active compounds. Said compounds particularly act as immunosuppressive agents.

  这项发明涉及新型噻吩衍生物，它们的制备以及它们作为药用活性化合物的用途。这些化合物特别作为免疫抑制剂。
• Novel sulfonyldiazomethanes, photoacid generators, resist compositions, and patterning process
  申请人：——

  公开号：US20040167322A1

  公开（公告）日：2004-08-26

  A chemical amplification type resist composition comprising a specific benzenesulfonyldiazomethane containing a long-chain alkoxyl group at the 2-position on benzene ring has many advantages including improved resolution, improved focus latitude, minimized line width variation or shape degradation even on long-term PED, minimized debris left after coating, development and peeling, and improved pattern profile after development and is thus suited for microfabrication.

  一种化学放大型抗蚀组合物，包括在苯环上的2-位含有长链烷氧基基团的特定苯磺酰二氮甲烷，具有许多优点，包括提高分辨率，改善焦点宽度，即使在长期PED上也减少线宽变化或形状退化，涂层、显影和剥离后减少残留物，并在显影后改善图案轮廓，因此适用于微加工。
• COMPOUND, RESIN, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, PATTERN FORMING METHOD, AND METHOD FOR PURIFYING THE COMPOUND OR RESIN
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：US20170073288A1

  公开（公告）日：2017-03-16

  The compound according to the present invention is represented by a specific formula. The compound according to the present invention has a structure according to the specific formula, and therefore can be applied to a wet process and is excellent in heat resistance and etching resistance. In addition, the compound according to the present invention has such a specific structure, and therefore has a high heat resistance, a relatively high carbon concentration, a relatively low oxygen concentration and also a high solvent solubility. Therefore, the compound according to the present invention can be used to form an underlayer film whose degradation is suppressed at high-temperature baking and which is also excellent in etching resistance to oxygen plasma etching or the like. Furthermore, the compound is also excellent in adhesiveness with a resist layer and therefore can form an excellent resist pattern.

  根据本发明，该化合物由特定的公式表示。根据本发明，该化合物具有特定公式的结构，因此可应用于湿法工艺，具有优异的耐热性和耐蚀性。此外，根据本发明，该化合物具有特定结构，因此具有高耐热性、相对较高的碳浓度、相对较低的氧浓度以及高溶剂溶解性。因此，根据本发明的化合物可用于形成在高温烘烤时降解受抑制且在氧等离子体蚀刻中具有优异耐蚀性的底层膜。此外，该化合物在与光阻层的粘附性方面也表现出色，因此可形成优异的光阻图案。

表征谱图